| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80177688 |
| InChI Key | JCHPOTOEIRYEPD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C17H21N1O4S1 |
| Molecular Weight | 335.12 |
| AlogP | 3.11 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 64.63 |
| Heavy Atoms | 23.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 23118-58-3 |
| NORMAN SUSDAT | |
| PubChem | 211447 |
| ChemSpider | 183299.0 |